(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C20H27N3O2 — CID 124802099

IUPAC(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@H]1CCN(Cc1cn(C)c3ccccc13)C2
InChIInChI=1S/C20H27N3O2/c1-21(2)19(24)20-9-11-25-18(20)8-10-23(14-20)13-15-12-22(3)17-7-5-4-6-16(15)17/h4-7,12,18H,8-11,13-14H2,1-3H3/t18-,20-/m0/s1
InChIKeyCPHCLAGYFOFXNT-ICSRJNTNSA-N
MW341.45 g/mol
LogP2.25
Rot. Bonds3

About (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 124802099) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID124802099
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@H]1CCN(Cc1cn(C)c3ccccc13)C2
InChIInChI=1S/C20H27N3O2/c1-21(2)19(24)20-9-11-25-18(20)8-10-23(14-20)13-15-12-22(3)17-7-5-4-6-16(15)17/h4-7,12,18H,8-11,13-14H2,1-3H3/t18-,20-/m0/s1
InChIKeyCPHCLAGYFOFXNT-ICSRJNTNSA-N
XLogP2.25
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 124802099) is (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CN(C)C(=O)[C@]12CCO[C@H]1CCN(Cc1cn(C)c3ccccc13)C2.
What is the InChIKey of (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is CPHCLAGYFOFXNT-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-21(2)19(24)20-9-11-25-18(20)8-10-23(14-20)13-15-12-22(3)17-7-5-4-6-16(15)17/h4-7,12,18H,8-11,13-14H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N,N-dimethyl-5-[(1-methylindol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 124802099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).